AMBER Archive (2004)

Subject: AMBER: is it a bug in mmpbsa

From: Shan, Jufang (Jufang.Shan_at_stjude.org)
Date: Tue Sep 07 2004 - 09:29:27 CDT

When I set epsilon=2 for MM calculation, GAS(ELE) was divided by 4.0
instead of 2.0 with epsilon = 2 compared to GAS(ELE) with epsilon=1. I
am using AMBER8.

 

Thanks,

Jufang

 

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